Atomistry » Sodium » PDB 3qq0-3r57 » 3qw7
Atomistry »
  Sodium »
    PDB 3qq0-3r57 »
      3qw7 »

Sodium in PDB 3qw7: Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc

Enzymatic activity of Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc

All present enzymatic activity of Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc, PDB code: 3qw7 was solved by D.Kumaran, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.57 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.843, 66.312, 64.845, 90.00, 98.41, 90.00
R / Rfree (%) 19.5 / 20.9

Other elements in 3qw7:

The structure of Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc (pdb code 3qw7). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc, PDB code: 3qw7:

Sodium binding site 1 out of 1 in 3qw7

Go back to Sodium Binding Sites List in 3qw7
Sodium binding site 1 out of 1 in the Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Protease Domain of Botulinum Neurotoxin Serotype A with A Peptide Inhibitor Rrfc within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na302

b:24.4
occ:1.00
O B:HOH407 2.0 23.4 1.0
SG B:CYS199 2.2 26.1 1.0
CB B:CYS199 3.0 24.9 1.0
CA B:CYS199 3.5 24.9 1.0
CD2 A:PHE423 3.9 29.5 1.0
CE2 A:PHE423 4.0 28.4 1.0
CE1 A:PHE369 4.1 15.4 1.0
CD1 A:LEU256 4.2 22.0 1.0
N B:CYS199 4.2 23.8 1.0
CD1 A:PHE369 4.5 14.4 1.0
O B:PHE198 4.5 23.3 1.0
CE2 B:PHE198 4.7 27.7 1.0
C B:PHE198 4.7 23.5 1.0
C B:CYS199 4.7 25.8 1.0
CD2 B:PHE198 4.7 26.2 1.0
O A:HOH932 4.9 29.8 1.0
O B:CYS199 5.0 24.6 1.0

Reference:

G.Kumar, D.Kumaran, S.A.Ahmed, S.Swaminathan. Peptide Inhibitors of Botulinum Neurotoxin Serotype A: Design, Inhibition, Cocrystal Structures, Structure-Activity Relationship and Pharmacophore Modeling. Acta Crystallogr.,Sect.D V. 68 511 2012.
ISSN: ISSN 0907-4449
PubMed: 22525749
DOI: 10.1107/S0907444912003551
Page generated: Mon Oct 7 12:43:24 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy